N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C9H11N5OS2 — CID 80617289

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2nc(C)c(C)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-4-5(2)16-9(11-4)12-6(15)7-13-14-8(10-3)17-7/h1-3H3,(H,10,14)(H,11,12,15)
InChIKeyPMWGEOGCSFSGOH-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.91
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617289) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617289
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2nc(C)c(C)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-4-5(2)16-9(11-4)12-6(15)7-13-14-8(10-3)17-7/h1-3H3,(H,10,14)(H,11,12,15)
InChIKeyPMWGEOGCSFSGOH-UHFFFAOYSA-N
XLogP1.91
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684927
5-(methylamino)-N-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618119
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylsulfanylbenzamide
CID 47098613
N-(5-bromo-4-methyl-2-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624614
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617289) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2nc(C)c(C)s2)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PMWGEOGCSFSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-4-5(2)16-9(11-4)12-6(15)7-13-14-8(10-3)17-7/h1-3H3,(H,10,14)(H,11,12,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).